2-chloro-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide

C6H8ClN3O3S — CID 107652538

IUPAC2-chloro-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
SMILESO=c1ccc(NS(=O)(=O)CCCl)n[nH]1
InChIInChI=1S/C6H8ClN3O3S/c7-3-4-14(12,13)10-5-1-2-6(11)9-8-5/h1-2H,3-4H2,(H,8,10)(H,9,11)
InChIKeyFIBOWHWYLXYDHN-UHFFFAOYSA-N
MW237.67 g/mol
LogP-0.25
Rot. Bonds4

About 2-chloro-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide

2-chloro-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide (PubChem CID 107652538) has the molecular formula C6H8ClN3O3S and a molecular weight of 237.67 g/mol. Its IUPAC name is 2-chloro-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide.

Molecular Properties

Compound Name2-chloro-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
PubChem CID107652538
Molecular FormulaC6H8ClN3O3S
Molecular Weight237.67 g/mol
Exact Mass237.00
IUPAC Name2-chloro-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
SMILESO=c1ccc(NS(=O)(=O)CCCl)n[nH]1
InChIInChI=1S/C6H8ClN3O3S/c7-3-4-14(12,13)10-5-1-2-6(11)9-8-5/h1-2H,3-4H2,(H,8,10)(H,9,11)
InChIKeyFIBOWHWYLXYDHN-UHFFFAOYSA-N
XLogP-0.25
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.67
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
CID 116786578
1-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
CID 116786583
3-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
CID 116786586
1-cyano-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide
CID 116787102
1-cyano-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide
CID 116787108
2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]propanethioamide
CID 116787177
2-[(6-oxo-1H-pyridazin-3-yl)sulfamoyl]ethanethioamide
CID 116787180
3-chloro-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
CID 116787511
3-chloro-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
CID 116787512
1-chloro-N-(6-oxo-1H-pyridazin-3-yl)methanesulfonamide
CID 116787514
4-chloro-N-(6-oxo-1H-pyridazin-3-yl)butane-1-sulfonamide
CID 116816612
n-(6-Oxo-1,6-dihydropyridazin-3-yl)propane-2-sulfonoimidamide
CID 164657346

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The IUPAC name of 2-chloro-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide (CID 107652538) is 2-chloro-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide.
What is the SMILES notation for 2-chloro-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The canonical SMILES for 2-chloro-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide is O=c1ccc(NS(=O)(=O)CCCl)n[nH]1.
What is the InChIKey of 2-chloro-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
The InChIKey is FIBOWHWYLXYDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3O3S/c7-3-4-14(12,13)10-5-1-2-6(11)9-8-5/h1-2H,3-4H2,(H,8,10)(H,9,11).
What are the key properties of 2-chloro-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide?
2-chloro-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide has a molecular weight of 237.67 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-oxo-1H-pyridazin-3-yl)ethanesulfonamide is sourced from PubChem (CID 107652538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).